ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate

C19H16ClNO3 — CID 13180324

IUPACethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClNO3/c1-2-24-18(22)12-21-17-11-15(20)9-8-14(17)10-16(19(21)23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyGTBXMGISOSPLHG-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.88
Rot. Bonds4

About ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate

ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate (PubChem CID 13180324) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
PubChem CID13180324
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Nameethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClNO3/c1-2-24-18(22)12-21-17-11-15(20)9-8-14(17)10-16(19(21)23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyGTBXMGISOSPLHG-UHFFFAOYSA-N
XLogP3.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate (CID 13180324) is ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate is CCOC(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(Cl)cc21.
What is the InChIKey of ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate?
The InChIKey is GTBXMGISOSPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-2-24-18(22)12-21-17-11-15(20)9-8-14(17)10-16(19(21)23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate?
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate has a molecular weight of 341.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate is sourced from PubChem (CID 13180324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).